SCHEMBL493324

SCHEMBL493324

COc1cc(C)c(S(=O)(=O)N2CCCC(COCC(=O)NCC3CCC(C(CCc4ccccc4)N4CCOCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
FAAH O00519 3/20 0.38
ACHE P22303 3/20 0.38
PTGIR P43119 2/20 0.38
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 2/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL493297 0.95 POLB (0.41) POLBFAAHACHEPTGIREPHX2
SCHEMBL492984 0.92 POLB (0.38) POLBEPHX2ALDH1A1SMN1; SMN2ATM
SCHEMBL493125 0.91 POLB (0.39) POLBFAAHACHEEPHX2ALDH1A1
SCHEMBL492959 0.90 DRD2 (0.38) FAAHACHEPTGIRALDH1A1HPGD
SCHEMBL493993 0.89 PTGIR (0.39) POLBFAAHACHEPTGIREPHX2
SCHEMBL493739 0.89 FAAH (0.37) FAAHACHEPTGIRALDH1A1HPGD
SCHEMBL492808 0.88 FAAH (0.39) POLBFAAHACHEEPHX2ALDH1A1
SCHEMBL493032 0.88 ATM (0.38) POLBFAAHACHEALDH1A1HPGD
SCHEMBL492760 0.85 POLB (0.41) POLBFAAHACHEEPHX2ALDH1A1
SCHEMBL493156 0.85 POLB (0.39) POLBEPHX2ALDH1A1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD POLB 2120/4885FAAH 6/4885ACHE 52/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.